{ "property-id" "tag:brunnels@noreply.openkim.org,2016-02-18:property/grain-boundary-symmetric-tilt-energy-relaxed-relation-cubic-crystal" "instance-id" 1 "a" { "source-value" 3.65840482711792 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.65840482711792e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "minimum-atom-separation" { "source-value" [ 2.56244966017379 2.24874726471051 2.1907698941023 2.21650899018993 2.23396312293702 2.20975283178744 2.25576285402226 2.30054281637464 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.56244966017379e-10 2.24874726471051e-10 2.1907698941023e-10 2.21650899018993e-10 2.23396312293702e-10 2.20975283178744e-10 2.25576285402226e-10 2.30054281637464e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.37761934007908454 -5.353142201846121 -4.211479442035618 -1.8259106432685548 -3.1601260036421386 -1.8962235801890477 -5.540996630182968 -2.3357197811543147 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.3776193400790845 -5.353142201846121 -4.211479442035618 -1.825910643268555 -3.160126003642139 -1.896223580189048 -5.540996630182968 -2.335719781154315 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "tilt-angle" { "source-value" [ 0.0 24.43269767945453 27.79577249602797 32.20422750397202 38.21321070173819 46.82644889274107 52.659006983369785 59.99999999999999 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4264310196508597 0.4851277481909706 0.562069803005627 0.6669463445036643 0.8172757101951847 0.9190730526904897 1.047197551196598 ] } "tilt-axis" { "source-value" [ 1 1 1 ] } }